N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoro-benzamide CAS Name: N-[4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-4-fluorobenzamide IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide Traditional Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoro-benzamide Formula: C18H13FN6O MolecularWeight: 348.333823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N)F

InChI

InChI=1S/C18H13FN6O/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17/h1-10H,(H,24,26)(H2,20,21,22)